3-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-ethoxybenzamide

C16H27N3O2 — CID 61476191

IUPAC3-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NC(CN(C)C)C(C)C)cc1N
InChIInChI=1S/C16H27N3O2/c1-6-21-15-8-7-12(9-13(15)17)16(20)18-14(11(2)3)10-19(4)5/h7-9,11,14H,6,10,17H2,1-5H3,(H,18,20)
InChIKeyMEPYJMVSTJCKRO-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.98
Rot. Bonds7

About 3-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-ethoxybenzamide

3-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-ethoxybenzamide (PubChem CID 61476191) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-ethoxybenzamide.

Molecular Properties

Compound Name3-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-ethoxybenzamide
PubChem CID61476191
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name3-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NC(CN(C)C)C(C)C)cc1N
InChIInChI=1S/C16H27N3O2/c1-6-21-15-8-7-12(9-13(15)17)16(20)18-14(11(2)3)10-19(4)5/h7-9,11,14H,6,10,17H2,1-5H3,(H,18,20)
InChIKeyMEPYJMVSTJCKRO-UHFFFAOYSA-N
XLogP1.98
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(3-amino-4-ethoxybenzoyl)amino]-3-methylbutanoate
CID 61095584
ethyl 2-[(3-amino-4-ethoxybenzoyl)amino]propanoate
CID 61498178
2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-4-carboxamide
CID 55041620
3-amino-4-ethoxy-N-(1-methylsulfonylpropan-2-yl)benzamide
CID 64628978
3-amino-N-[1-(dimethylamino)propan-2-yl]-4-methoxybenzamide
CID 82945494
3-amino-4-ethoxy-N-(1-hydroxybutan-2-yl)benzamide
CID 61094806
3-amino-4-ethoxy-N-octan-2-ylbenzamide
CID 61476185
3-amino-4-(2-methylpropoxy)-N-propan-2-ylbenzamide
CID 82070404
(2S)-2-[(3-ethoxy-4-methoxybenzoyl)amino]-3-methylbutanoic acid
CID 61137510
3-amino-4-ethoxy-N-(1-thiophen-2-ylethyl)benzamide
CID 61093835
3-amino-4-methoxy-N-(1-methoxy-3-methylbutan-2-yl)benzamide
CID 65050177
N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-hydroxy-3-methylbenzamide
CID 103957072

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-ethoxybenzamide?
The IUPAC name of 3-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-ethoxybenzamide (CID 61476191) is 3-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-ethoxybenzamide.
What is the SMILES notation for 3-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-ethoxybenzamide?
The canonical SMILES for 3-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-ethoxybenzamide is CCOc1ccc(C(=O)NC(CN(C)C)C(C)C)cc1N.
What is the InChIKey of 3-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-ethoxybenzamide?
The InChIKey is MEPYJMVSTJCKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-6-21-15-8-7-12(9-13(15)17)16(20)18-14(11(2)3)10-19(4)5/h7-9,11,14H,6,10,17H2,1-5H3,(H,18,20).
What are the key properties of 3-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-ethoxybenzamide?
3-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-ethoxybenzamide has a molecular weight of 293.41 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-ethoxybenzamide is sourced from PubChem (CID 61476191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).